2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide

C8H15N3O2 — CID 43214710

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)NC1CC1
InChIInChI=1S/C8H15N3O2/c1-9-7(12)4-10-5-8(13)11-6-2-3-6/h6,10H,2-5H2,1H3,(H,9,12)(H,11,13)
InChIKeyUAJPOVRGHHNUBW-UHFFFAOYSA-N
MW185.23 g/mol
LogP-1.40
Rot. Bonds5

About 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide (PubChem CID 43214710) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide
PubChem CID43214710
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide
SMILESCNC(=O)CNCC(=O)NC1CC1
InChIInChI=1S/C8H15N3O2/c1-9-7(12)4-10-5-8(13)11-6-2-3-6/h6,10H,2-5H2,1H3,(H,9,12)(H,11,13)
InChIKeyUAJPOVRGHHNUBW-UHFFFAOYSA-N
XLogP-1.40
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide (CID 43214710) is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide is CNC(=O)CNCC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide?
The InChIKey is UAJPOVRGHHNUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-9-7(12)4-10-5-8(13)11-6-2-3-6/h6,10H,2-5H2,1H3,(H,9,12)(H,11,13).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide has a molecular weight of 185.23 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-methylacetamide is sourced from PubChem (CID 43214710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).